1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one

C18H22OSi — CID 10612922

IUPAC1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one
SMILESC[Si](C)(C(=O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22OSi/c1-20(2,17-13-7-4-8-14-17)18(19)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,9,12,15H2,1-2H3
InChIKeyRMMCYANSDNGEPD-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.73
Rot. Bonds6

About 1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one

1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one (PubChem CID 10612922) has the molecular formula C18H22OSi and a molecular weight of 282.46 g/mol. Its IUPAC name is 1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one
PubChem CID10612922
Molecular FormulaC18H22OSi
Molecular Weight282.46 g/mol
Exact Mass282.14
IUPAC Name1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one
SMILESC[Si](C)(C(=O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22OSi/c1-20(2,17-13-7-4-8-14-17)18(19)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,9,12,15H2,1-2H3
InChIKeyRMMCYANSDNGEPD-UHFFFAOYSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-1-trimethylsilylbutan-1-one
CID 11138658
1-[dimethyl(phenyl)silyl]butan-1-one
CID 10822186
1-[dimethyl(phenyl)silyl]-3-trimethylsilylpropan-1-one
CID 101379873
5-phenylpentan-2-one
CID 16701
trimethylsilyl 4-phenylbutanoate
CID 523833
4-phenylbutanoyl chloride
CID 11789865
[(E)-1-iodo-5-phenylpent-1-enyl]-dimethyl-phenylsilane
CID 11338697
lithium 4-phenylbutanoate
CID 50923149
calcium bis(4-phenylbutanoate)
CID 11187721
dimethyl-(5-methyl-1-phenylhexa-3,4-dien-3-yl)-phenylsilane
CID 102173313
1,9-diphenylnonan-5-one
CID 23467830
butylbenzene;carbonic acid
CID 158278492

Frequently Asked Questions

What is the IUPAC name of 1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one?
The IUPAC name of 1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one (CID 10612922) is 1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one is C[Si](C)(C(=O)CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one?
The InChIKey is RMMCYANSDNGEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OSi/c1-20(2,17-13-7-4-8-14-17)18(19)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,9,12,15H2,1-2H3.
What are the key properties of 1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one?
1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one has a molecular weight of 282.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(phenyl)silyl]-4-phenylbutan-1-one is sourced from PubChem (CID 10612922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).